| SpectraBase Compound ID | LO0bw4Xu8eP |
|---|---|
| InChI | InChI=1S/C5H7Cl3O3/c1-10-3(4(9)11-2)5(6,7)8/h3H,1-2H3 |
| InChIKey | LAGJRNOSAVMCGP-UHFFFAOYSA-N |
| Mol Weight | 221.47 g/mol |
| Molecular Formula | C5H7Cl3O3 |
| Exact Mass | 219.946077 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Cp0D9tdXAI7 |
|---|---|
| Name | Methyl 3,3,3-trichloro-2-methoxypropionate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.946077182 u |
| Formula | C5H7Cl3O3 |
| InChI | InChI=1S/C5H7Cl3O3/c1-10-3(4(9)11-2)5(6,7)8/h3H,1-2H3 |
| InChIKey | LAGJRNOSAVMCGP-UHFFFAOYSA-N |
| Molecular Weight | 221.467 g/mol |
| SMILES | C(C(C(Cl)(Cl)Cl)OC)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.913301 |